1-[(2S)-butan-2-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(1S)-1-methylpropyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2S)-butan-2-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2S)-butan-2-yl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(1S)-1-methylpropyl]-4-(3,4,5-trimethoxybenzyl)piperazine-1,4-diium Formula: C18H32N2O3+2 MolecularWeight: 324.45828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC[C@H](C)[NH+]1CC[NH+](CC1)CC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C18H30N2O3/c1-6-14(2)20-9-7-19(8-10-20)13-15-11-16(21-3)18(23-5)17(12-15)22-4/h11-12,14H,6-10,13H2,1-5H3/p+2/t14-/m0/s1